5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide

C22H14Cl2N2O4S — CID 139582124

IUPAC5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C22H14Cl2N2O4S/c23-15-3-1-14(2-4-15)21-13-20(26-30-21)22(27)25-17-7-11-19(12-8-17)31(28,29)18-9-5-16(24)6-10-18/h1-13H,(H,25,27)
InChIKeyYQLOTJZCYOCEJG-UHFFFAOYSA-N
MW473.34 g/mol
LogP5.73
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 139582124) has the molecular formula C22H14Cl2N2O4S and a molecular weight of 473.34 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
PubChem CID139582124
Molecular FormulaC22H14Cl2N2O4S
Molecular Weight473.34 g/mol
Exact Mass472.01
IUPAC Name5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C22H14Cl2N2O4S/c23-15-3-1-14(2-4-15)21-13-20(26-30-21)22(27)25-17-7-11-19(12-8-17)31(28,29)18-9-5-16(24)6-10-18/h1-13H,(H,25,27)
InChIKeyYQLOTJZCYOCEJG-UHFFFAOYSA-N
XLogP5.73
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.34
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 70689582
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
5-(4-butoxyphenyl)-N-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 171691982
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011046
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 75521128
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 33125130
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide (CID 139582124) is 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YQLOTJZCYOCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O4S/c23-15-3-1-14(2-4-15)21-13-20(26-30-21)22(27)25-17-7-11-19(12-8-17)31(28,29)18-9-5-16(24)6-10-18/h1-13H,(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 473.34 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139582124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).